Magnesium in PDB 1xfa: Structure of NBD1 From Murine Cftr- F508R Mutant

The structure of Structure of NBD1 From Murine Cftr- F508R Mutant, PDB code: 1xfa was solved by P.H.Thibodeau, C.A.Brautigam, M.Machius, P.J.Thomas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.27 / 3.10
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	139.994, 139.994, 278.721, 90.00, 90.00, 90.00
R / Rfree (%)	24.9 / 26.1

The structure of Structure of NBD1 From Murine Cftr- F508R Mutant also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Structure of NBD1 From Murine Cftr- F508R Mutant (pdb code 1xfa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of NBD1 From Murine Cftr- F508R Mutant, PDB code: 1xfa:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of NBD1 From Murine Cftr- F508R Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of NBD1 From Murine Cftr- F508R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3 b:69.5 occ:1.00 OG1 A:THR465 1.7 74.5 1.0 O2G A:ATP1 2.0 91.1 1.0 OE1 A:GLN493 2.1 85.0 1.0 O1B A:ATP1 2.6 99.8 1.0 CD A:GLN493 3.0 84.5 1.0 O3G A:ATP1 3.0 89.2 1.0 CB A:THR465 3.1 76.3 1.0 PG A:ATP1 3.1 91.1 1.0 N A:THR465 3.7 76.6 1.0 NE2 A:GLN493 3.7 83.4 1.0 PB A:ATP1 3.7 98.8 1.0 O3B A:ATP1 3.8 95.2 1.0 OD1 A:ASP572 3.8 67.2 1.0 CA A:THR465 3.8 76.7 1.0 OD2 A:ASP572 3.9 70.2 1.0 CG A:GLN493 4.0 84.1 1.0 CG2 A:THR465 4.1 74.2 1.0 O1G A:ATP1 4.3 86.4 1.0 CG A:ASP572 4.3 68.5 1.0 O2B A:ATP1 4.5 98.9 1.0 O2A A:ATP1 4.6 99.3 1.0 OG A:SER573 4.6 67.1 1.0 CB A:LYS464 4.7 74.0 1.0 C A:LYS464 4.8 76.0 1.0 CE A:LYS464 4.8 72.8 1.0

Magnesium binding site 2 out of 2 in the Structure of NBD1 From Murine Cftr- F508R Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of NBD1 From Murine Cftr- F508R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg4 b:69.4 occ:1.00 OG1 B:THR465 1.8 71.0 1.0 OE1 B:GLN493 2.1 75.4 1.0 O1G B:ATP2 2.2 87.1 1.0 CD B:GLN493 2.9 75.2 1.0 PG B:ATP2 3.0 85.2 1.0 O3B B:ATP2 3.1 88.4 1.0 CB B:THR465 3.2 71.7 1.0 O1B B:ATP2 3.6 93.2 1.0 NE2 B:GLN493 3.6 73.0 1.0 OD1 B:ASP572 3.7 75.1 1.0 N B:THR465 3.7 73.3 1.0 O2G B:ATP2 3.8 85.9 1.0 CG B:GLN493 3.9 76.0 1.0 OD2 B:ASP572 3.9 74.2 1.0 CA B:THR465 3.9 72.7 1.0 PB B:ATP2 4.0 91.1 1.0 CG2 B:THR465 4.1 70.2 1.0 CG B:ASP572 4.2 73.9 1.0 OG B:SER573 4.5 64.5 1.0 O3G B:ATP2 4.5 83.4 1.0 CB B:LYS464 4.6 75.2 1.0 O2B B:ATP2 4.7 92.0 1.0 O2A B:ATP2 4.7 98.7 1.0 CE B:LYS464 4.8 78.8 1.0 C B:LYS464 4.9 73.7 1.0

P.H.Thibodeau, C.A.Brautigam, M.Machius, P.J.Thomas. Side Chain and Backbone Contributions of PHE508 to Cftr Folding. Nat.Struct.Mol.Biol. V. 12 10 2005.
ISSN: ISSN 1545-9993
PubMed: 15619636
DOI: 10.1038/NSMB881